ChemSpider 2D Image | 5-[(3,4-Dimethylbenzoyl)amino]-N-isobutyl-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide | C33H39N3O2

5-[(3,4-Dimethylbenzoyl)amino]-N-isobutyl-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide

  • Molecular FormulaC33H39N3O2
  • Average mass509.682 Da
  • Monoisotopic mass509.304230 Da
  • ChemSpider ID29242672

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indole-2-carboxamide, 5-[(3,4-dimethylbenzoyl)amino]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-(2-methylpropyl)- [ACD/Index Name]
5-[(3,4-Dimethylbenzoyl)amino]-N-isobutyl-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
5-[(3,4-Dimethylbenzoyl)amino]-N-isobutyl-1-[4-(2-methyl-2-propanyl)benzyl]-1H-indole-2-carboxamide [ACD/IUPAC Name]
5-[(3,4-Diméthylbenzoyl)amino]-N-isobutyl-1-[4-(2-méthyl-2-propanyl)benzyl]-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 678.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75701.02
ACD/KOC (pH 5.5): 108153.70
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75701.11
ACD/KOC (pH 7.4): 108153.83
Polar Surface Area: 63 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 463.1±7.0 cm3

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